| Properties | Image |
|---|
| MNX_ID | MNXM1175598 |
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| reference | envipathM:...1cce25266e02 |
| formula | C41H62O16 |
| global charge | 0 |
| mol weight | 810.931 |
| InChIKey | HLPUNYWCMBVXNH-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O16/c1-18-34(47)25(42)14-32(51-18)56-36-20(3)53-33(16-27(36)44)57-35-19(2)52-31(15-26(35)43)54-22-8-10-38(4)21(12-22)6-7-28-40(49)11-9-24(23-13-30(46)55-37(23)48)39(40,5)29(45)17-41(28,38)50/h18-26,28,31-37,42-43,47-50H,6-17H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(CCC5C4(O)CC(=O)C4(C)C(C6CC(=O)OC6O)CCC54O)C3)OC2C)CC(=O)C1OC1CC(O)C(O)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O16/c1-18-34(47)25(42)14-32(51-18)56-36-20(3)53-33(16-27(36)44)57-35-19(2)52-31(15-26(35)43)54-22-8-10-38(4)21(12-22)6-7-28-40(49)11-9-24(23-13-30(46)55-37(23)48)39(40,5)29(45)17-41(28,38)50/h18-26,28,31-37,42-43,47-50H,6-17H2,1-5H3/t18?,19?,20?,21?,22?,23?,24?,25?,26?,28?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:34]([OH:47])[CH:25]([OH:42])[CH2:14][CH:32]([O:56][CH:36]2[CH:20]([CH3:3])[O:53][CH:33]([O:57][CH:35]3[CH:19]([CH3:2])[O:52][CH:31]([O:54][CH:22]4[CH2:8][CH2:10][C:38]5([CH3:4])[CH:21]([CH2:6][CH2:7][CH:28]6[C:40]7([OH:49])[CH2:11][CH2:9][CH:24]([CH:23]8[CH2:13][C:30](=[O:46])[O:55][CH:37]8[OH:48])[C:39]7([CH3:5])[C:29](=[O:45])[CH2:17][C:41]65[OH:50])[CH2:12]4)[CH2:15][CH:26]3[OH:43])[CH2:16][C:27]2=[O:44])[O:51]1 |
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